1-Methyl-4-propoxybenzene

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  • Identifiers

    CAS number
    5349-18-8

    Molecular formula
    C10H14O

    SMILES
    CCCOC1=CC=C(C=C1)C

  • Odor profile

    Floral 81.04%
    Anisic 55.63%
    Sweet 53.02%
    Green 47.18%
    Earthy 41.1%
    Phenolic 40.64%
    Rose 39.21%
    Herbal 36.67%
    Aromatic 35.7%
    Nutty 35.52%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    214°C

    Flash point est.
    67.47 ˚C

  • Synonyms

    • 1-Methyl-4-propoxybenzene
    • 5349-18-8
    • Benzene, 1-methyl-4-propoxy-
    • 4-Propoxytoluene
    • 1-Propoxy-4-methylbenzene
    • PROPYL P-TOLYL ETHER
    • NSC-1187
    • NSC-95261
    • NSC1187
    • 4-n-propoxytoluene
    • Ether, propyl p-tolyl
    • Q2MP4GS8AX
    • 4-Methyl-1-propoxybenzene
    • 4-methylphenyl n-propyl ether
    • SCHEMBL255419
    • 4-Methylphenol, n-propyl ether
    • DTXSID40201670
    • NSC 1187
    • NSC95261
    • AKOS006243091

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1791.8
    methanol 1199.11
    isopropanol 1273.69
    water 0.4
    ethyl acetate 2013.58
    n-propanol 1317.2
    acetone 1055.44
    n-butanol 1536.15
    acetonitrile 1417.82
    DMF 628.66
    toluene 876.29
    isobutanol 1000.92
    1,4-dioxane 3168.01
    methyl acetate 1495.38
    THF 1993.5
    2-butanone 1234.47
    n-pentanol 1296.3
    sec-butanol 1273.7
    n-hexane 784.26
    ethylene glycol 243.08
    NMP 415.34
    cyclohexane 769.36
    DMSO 1005.44
    n-butyl acetate 2567.33
    n-octanol 742.81
    chloroform 5196.11
    n-propyl acetate 1222.53
    acetic acid 974.57
    dichloromethane 4563.8
    cyclohexanone 1334.54
    propylene glycol 373.99
    isopropyl acetate 968.3
    DMAc 644.44
    2-ethoxyethanol 1235.57
    isopentanol 1280.46
    n-heptane 627.21
    ethyl formate 908.17
    1,2-dichloroethane 2599.83
    n-hexanol 2082.37
    2-methoxyethanol 1372.12
    isobutyl acetate 773.41
    tetrachloromethane 905.54
    n-pentyl acetate 829.94
    transcutol 3777.18
    n-heptanol 648.88
    ethylbenzene 638.76
    MIBK 641.53
    2-propoxyethanol 1788.87
    tert-butanol 1614.41
    MTBE 1850.32
    2-butoxyethanol 838.13
    propionic acid 861.0
    o-xylene 473.44
    formic acid 178.19
    diethyl ether 2525.69
    m-xylene 515.37
    p-xylene 715.25
    chlorobenzene 1094.06
    dimethyl carbonate 329.1
    n-octane 212.69
    formamide 261.38
    cyclopentanone 881.35
    2-pentanone 985.9
    anisole 1034.19
    cyclopentyl methyl ether 1060.51
    gamma-butyrolactone 952.18
    1-methoxy-2-propanol 1028.99
    pyridine 1747.38
    3-pentanone 769.81
    furfural 1014.88
    n-dodecane 149.28
    diethylene glycol 940.55
    diisopropyl ether 625.89
    tert-amyl alcohol 1379.74
    acetylacetone 864.17
    n-hexadecane 164.12
    acetophenone 704.08
    methyl propionate 929.3
    isopentyl acetate 1745.73
    trichloroethylene 3903.15
    n-nonanol 622.16
    cyclohexanol 1075.96
    benzyl alcohol 693.29
    2-ethylhexanol 1323.61
    isooctanol 516.87
    dipropyl ether 1880.66
    1,2-dichlorobenzene 916.07
    ethyl lactate 390.74
    propylene carbonate 842.34
    n-methylformamide 384.76
    2-pentanol 1116.48
    n-pentane 527.65
    1-propoxy-2-propanol 1467.19
    1-methoxy-2-propyl acetate 1171.3
    2-(2-methoxypropoxy) propanol 791.78
    mesitylene 328.91
    ε-caprolactone 1325.25
    p-cymene 437.1
    epichlorohydrin 1927.03
    1,1,1-trichloroethane 2517.37
    2-aminoethanol 499.73
    morpholine-4-carbaldehyde 957.43
    sulfolane 866.07
    2,2,4-trimethylpentane 196.43
    2-methyltetrahydrofuran 1933.41
    n-hexyl acetate 1203.5
    isooctane 167.98
    2-(2-butoxyethoxy)ethanol 1082.71
    sec-butyl acetate 793.65
    tert-butyl acetate 876.61
    decalin 308.46
    glycerin 384.16
    diglyme 1975.23
    acrylic acid 567.89
    isopropyl myristate 473.68
    n-butyric acid 1460.12
    acetyl acetate 964.36
    di(2-ethylhexyl) phthalate 349.0
    ethyl propionate 956.18
    nitromethane 989.04
    1,2-diethoxyethane 2312.99
    benzonitrile 1003.63
    trioctyl phosphate 272.48
    1-bromopropane 2164.12
    gamma-valerolactone 1191.73
    n-decanol 475.04
    triethyl phosphate 433.12
    4-methyl-2-pentanol 558.59
    propionitrile 1296.58
    vinylene carbonate 843.4
    1,1,2-trichlorotrifluoroethane 1060.49
    DMS 685.55
    cumene 406.76
    2-octanol 467.1
    2-hexanone 1174.6
    octyl acetate 568.73
    limonene 689.79
    1,2-dimethoxyethane 2152.67
    ethyl orthosilicate 476.46
    tributyl phosphate 378.19
    diacetone alcohol 699.16
    N,N-dimethylaniline 570.07
    acrylonitrile 1060.33
    aniline 832.52
    1,3-propanediol 756.57
    bromobenzene 1311.73
    dibromomethane 3461.63
    1,1,2,2-tetrachloroethane 3185.46
    2-methyl-cyclohexyl acetate 770.87
    tetrabutyl urea 433.38
    diisobutyl methanol 558.11
    2-phenylethanol 891.61
    styrene 850.17
    dioctyl adipate 600.11
    dimethyl sulfate 324.99
    ethyl butyrate 1426.61
    methyl lactate 319.62
    butyl lactate 491.82
    diethyl carbonate 914.86
    propanediol butyl ether 662.55
    triethyl orthoformate 873.79
    p-tert-butyltoluene 422.28
    methyl 4-tert-butylbenzoate 539.72
    morpholine 2808.17
    tert-butylamine 1363.98
    n-dodecanol 389.32
    dimethoxymethane 824.45
    ethylene carbonate 813.5
    cyrene 417.87
    2-ethoxyethyl acetate 1003.1
    2-ethylhexyl acetate 1434.98
    1,2,4-trichlorobenzene 955.02
    4-methylpyridine 1556.39
    dibutyl ether 1334.33
    2,6-dimethyl-4-heptanol 558.11
    DEF 972.1
    dimethyl isosorbide 969.85
    tetrachloroethylene 1986.8
    eugenol 554.62
    triacetin 786.9
    span 80 707.34
    1,4-butanediol 430.78
    1,1-dichloroethane 2798.22
    2-methyl-1-pentanol 1133.99
    methyl formate 329.24
    2-methyl-1-butanol 1192.2
    n-decane 245.66
    butyronitrile 1696.27
    3,7-dimethyl-1-octanol 712.31
    1-chlorooctane 682.24
    1-chlorotetradecane 283.84
    n-nonane 278.61
    undecane 184.27
    tert-butylcyclohexane 307.71
    cyclooctane 267.52
    cyclopentanol 697.86
    tetrahydropyran 2899.46
    tert-amyl methyl ether 1127.83
    2,5,8-trioxanonane 1296.03
    1-hexene 1807.61
    2-isopropoxyethanol 906.21
    2,2,2-trifluoroethanol 234.28
    methyl butyrate 1270.78

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Cassia, bark (China) 2 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%